Geometry & MOs

Info

ID:	332167
PubChem CID:	127250453
Reduced:	ClO2N3H22C23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	298.142976
ΔH_f, kcal/mol:	-8.26
Dipole, Da:	3.41
IP(EA), eV:	-8.74(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(6-aminopyridin-3-yl)pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

C1COC(CN1CC2=CC=CC=C2Cl)C3=CC=CC(=N3)C4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations